Information card for entry 7132890

Structure parameters

• Chemical name: 17b-hydroxy-5a-androstan-3-one
• Formula: C24 H41 N O4
• Calculated formula: C24 H41 N O4
• Title of publication: Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides.
• Authors of publication: Liu, Ruzhang; Wang, Juan; Wu, Hao; Quan, Xianfeng; Wang, Shilin; Guo, Jiandong; Wang, Yang; Li, Heting
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 32
• Pages of publication: 4362 - 4365
• a: 6.372 ± 0.0006 Å
• b: 21.111 ± 0.002 Å
• c: 17.2221 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2316.7 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2102
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No